Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL4164752

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
CCCCCCCCCCCCCC[C@@H](C)[C@@H]1OC(=O)[C@H](CC(=O)NC2CC2)NC(=O)CN(C)C(=O)/C=C/[C@H](CO)NC(=O)[C@H]1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4164752
Phase Preclinical
Structure Type MOL
InChI Key NDESWXVQBKDEFN-CVEAQASISA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

648.9
MW (Da)
3.92
ALogP
7
HBA
4
HBD
154.1
PSA (Ų)
0.13
QED
1
Ro5 Violations
18
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C35H60N4O7
MW 648.89
Aromatic Rings 0
Heavy Atoms 46
NP-Likeness 0.72

Literature References

PubMed DOI Target Context # Activities
29656202 10.1016/j.ejmech.2018.03.078 PANC-1 2

Data from ChEMBL 36 via Core Engine